2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine

C11H14ClNO — CID 60905172

IUPAC2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
SMILESNCCc1ccccc1OC/C=C/Cl
InChIInChI=1S/C11H14ClNO/c12-7-3-9-14-11-5-2-1-4-10(11)6-8-13/h1-5,7H,6,8-9,13H2/b7-3+
InChIKeyFFCGCSWUKJTBAN-XVNBXDOJSA-N
MW211.69 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine

2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine (PubChem CID 60905172) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
PubChem CID60905172
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
SMILESNCCc1ccccc1OC/C=C/Cl
InChIInChI=1S/C11H14ClNO/c12-7-3-9-14-11-5-2-1-4-10(11)6-8-13/h1-5,7H,6,8-9,13H2/b7-3+
InChIKeyFFCGCSWUKJTBAN-XVNBXDOJSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 76983308
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
[2-chloro-6-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 114318333
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
2-[2-[2-(2-methylphenoxy)ethoxy]phenyl]ethanamine
CID 22680049
[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]methanamine
CID 60878117
2-[3-chloro-4-(3-chloroprop-2-enoxy)phenyl]ethanamine
CID 76914655
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
2-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60905651
(1S)-1-[2-(3-chloroprop-2-enoxy)phenyl]ethanol
CID 78931441
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104565556

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine (CID 60905172) is 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine is NCCc1ccccc1OC/C=C/Cl.
What is the InChIKey of 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The InChIKey is FFCGCSWUKJTBAN-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-7-3-9-14-11-5-2-1-4-10(11)6-8-13/h1-5,7H,6,8-9,13H2/b7-3+.
What are the key properties of 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine has a molecular weight of 211.69 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine is sourced from PubChem (CID 60905172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).